Information card for entry 7007269

Structure parameters

• Formula: C24 H28 Cl2 Fe2 O2 Pt S2
• Calculated formula: C24 H28 Cl2 Fe2 O2 Pt S2
• SMILES: [S]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]7[cH]6[cH]1[cH]82)OC)([Pt]([S]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)OC)C)(Cl)Cl)C
• Title of publication: New S/O-substituted ferrocenediyl ligands and their metal complexes.
• Authors of publication: Atkinson, Robert C. J.; Gibson, Vernon C.; Long, Nicholas J.; West, Lara J.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3597 - 3602
• a: 10.1812 ± 0.0005 Å
• b: 7.9632 ± 0.0003 Å
• c: 15.9154 ± 0.0007 Å
• α: 90°
• β: 95.796 ± 0.004°
• γ: 90°
• Cell volume: 1283.74 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No